Match comparison for External energy (match type 32505)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 24-hartree_fock_1D.02-noACE.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.602756027000000e+02 2.300000000000000e-06 -4.604739301137931e+02 4.925123041732745e-07 -4.604739302000000e+02 4.999999987376214e-07 FAIL

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -460.27560270000004, precision: 0.0000023
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-serial-min: [foss2022a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-serial-min: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss_cmake: [foss2022a-serial, foss-min] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss_cmake: [foss2022a-serial, foss-full] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
intel-serial: [intel2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-serial-full: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-opt-full: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-serial-min: [foss2023b-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-serial-full: [foss2023b-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-ppc: [foss2022a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
intel_omp_autotools: [intel2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss-omp-full: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-serial-debug: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
intel_omp_autotools: [intel2022a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-full: [foss2023a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-min: [foss2022a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-debug: [foss2023a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-min: [foss2023a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
foss-mpi-omp-full: [foss2023a-mpi] -4.604739307000000e+02 -1.983279999999468e-01 -8.622956521736816e+04 FAIL
valgrind: [foss2023a-serial] -4.604739297000000e+02 -1.983269999999493e-01 -8.622913043476056e+04 FAIL